Vitas-M small molecule compound
ethyl 2-[({2-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxalin-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK538202
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(N)n(c2c1nc1ccccc1n2)CCc1ccc(c(c1)OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C32H33N5O5S MW 599.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N5O5S/c1-4-42-32(39)25-19-9-5-8-12-24(19)43-31(25)36-30(38)26-27-29(35-21-11-7-6-10-20(21)34-27)37(28(26)33)16-15-18-13-14-22(40-2)23(17-18)41-3/h6-7,10-11,13-14,17H,4-5,8-9,12,15-16,33H2,1-3H3,(H,36,38)InChIKey
SAXQTZQRRUPRMI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(N(C4=NC5=CC=CC=C5N=C34)CCC6=CC(=C(C=C6)OC)OC)N
ethyl2(((2amino1(2(34dimethoxyphenyl)ethyl)1Hpyrrolo(23b)quinoxalin3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2amino1(2(34dimethoxyphenyl)ethyl)pyrrolo(32b)quinoxaline3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2amino1(34dimethoxyphenethyl)1Hpyrrolo(23b)quinoxaline3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC32H33N5O5Sc144232(39)25199581224(19)4331(25)3630(38)262729(352111761020(21)3427)37(28(26)33)161518131422(402)23(1718)413h671011131417H458912151633H213H3(H3638)
MFCD02999549
ZINC000001839905
ZINC01839905
ZINC1839905
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